Compound Detail
CHEMBL3770662
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Basic Information
| ChEMBL ID | CHEMBL3770662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUSWSOVTPRKZMU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
1.95
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.05 | 7.865 | 9.0 | 2 |
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 7.7 | 7.3467 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 20.0 | nM | 7.7 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 41.0 | nM | 7.39 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 113.0 | nM | 6.95 | Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-... | 26693272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26693272 | 10.1021/acsmedchemlett.5b00319 | Calmodulin-domain protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine